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AQUILARABIETIC_ACID_F;13-BETA,14-BETA-EPOXYABIET-7-EN-18,6-ALPHA-OLIDE
SpectraBase Compound ID 6y0r3vSK4Hc
InChI InChI=1S/C20H28O3/c1-11(2)20-9-6-13-12(16(20)23-20)10-14-15-18(13,3)7-5-8-19(15,4)17(21)22-14/h10-11,13-16H,5-9H2,1-4H3/t13-,14-,15+,16-,18+,19+,20-/m0/s1
InChIKey LCMPHUFXGRWSHE-FDMURRQVSA-N
Mol Weight 316.44 g/mol
Molecular Formula C20H28O3
Exact Mass 316.203845 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID AMBOZcZTsVG
Name AQUILARABIETIC_ACID_F;13-BETA,14-BETA-EPOXYABIET-7-EN-18,6-ALPHA-OLIDE
Compound Number 6
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C20H28O3
InChI InChI=1S/C20H28O3/c1-11(2)20-9-6-13-12(16(20)23-20)10-14-15-18(13,3)7-5-8-19(15,4)17(21)22-14/h10-11,13-16H,5-9H2,1-4H3/t13-,14-,15+,16-,18+,19+,20-/m0/s1
InChIKey LCMPHUFXGRWSHE-FDMURRQVSA-N
Literature Reference Author L.YANG,L.QIAO,C.JI,D.XIE,N.B.GONG,Y.LU,J.ZHANG,J.DAI,S.GUO
Literature Reference Citation J.NAT.PROD.,76,216(2013)
Literature Reference DOI 10.1021/np3006925
Molecular Weight 316.441 g/mol
Sample ID 42157
Solvent CDCl3